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893736-55-5 | 4-(2,3-Dioxo-2,3-dihydro-1H-indol-5-yl) benzonitrile
CAS No: 893736-55-5 Catalog No: AG01EYMW MDL No:
Product Description
Catalog Number:
AG01EYMW
Chemical Name:
4-(2,3-Dioxo-2,3-dihydro-1H-indol-5-yl) benzonitrile
CAS Number:
893736-55-5
Molecular Formula:
C15H8N2O2
Molecular Weight:
248.2362
IUPAC Name:
4-(2,3-dioxo-1H-indol-5-yl)benzonitrile
InChI:
InChI=1S/C15H8N2O2/c16-8-9-1-3-10(4-2-9)11-5-6-13-12(7-11)14(18)15(19)17-13/h1-7H,(H,17,18,19)
InChI Key:
WSTKXOBIOIHHBR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ccc2c(c1)C(=O)C(=O)N2
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.241g/mol
Monoisotopic Mass:
248.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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